NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 542 S 4.4406 8.1933 115.4060 58.0569 64.8535 174.8229 543 H 4.3227 8.0659 118.1326 57.2022 29.0191 174.2453 544 H 4.7778 8.1985 114.6658 55.8544 30.9247 174.6705 545 V 4.1596 7.6739 120.1941 61.8482 32.4331 174.9083 546 R 5.1456 8.6511 124.8815 53.9706 33.2530 176.8713 547 V 2.3349 8.6710 120.4439 65.7336 31.4346 178.3103 548 E 3.8697 7.7706 116.3479 58.9824 29.4543 177.8757 549 H 4.5235 8.0913 117.2312 57.7196 28.8747 175.8597 550 F 4.9642 7.4112 110.4950 55.9805 38.9323 175.0350 551 M 4.0021 7.4562 119.1691 55.1517 31.7542 175.2625 552 N 4.6300 8.9166 119.6396 53.3218 39.3915 175.5517 553 H 4.5082 8.7855 122.3897 57.2837 29.9925 176.0938 554 S 4.5584 8.6021 118.5038 57.8437 61.2794 173.4731 555 I 4.5709 7.2675 113.2357 59.2312 40.3994 175.9740 556 T 4.5283 8.3685 118.1286 61.9945 70.3044 174.0301 557 T 4.5373 8.3607 116.8957 61.0784 70.6141 173.9809 558 L 4.7860 8.6005 122.3110 53.0039 44.8768 175.7713 559 A 5.4836 8.6816 125.1663 49.2214 21.6491 178.0009 560 K 3.9007 8.1903 119.0267 59.0614 32.2655 178.6819 561 D 4.9454 7.8494 115.9177 53.1474 39.7458 176.0136 562 T 4.0866 7.7721 118.5892 62.6557 68.9556 172.6757 563 P 4.6715 0.0000 0.0000 62.9851 33.1298 177.2918 564 L 3.9877 8.6725 120.3219 57.9800 41.6146 179.8088 565 E 3.9195 8.1389 118.2130 59.5174 29.3727 178.8812 566 E 3.9463 8.0592 118.7584 59.0366 29.7214 178.7229 567 V 3.4441 7.7259 118.4759 65.8900 31.4859 178.1657 568 V 3.5328 7.9527 118.0495 65.9239 31.3502 178.0591 569 K 3.9063 7.8583 117.7361 59.4054 31.6621 179.4391 570 V 3.5323 7.6742 117.3187 65.9848 31.6759 177.8168 571 V 3.9157 8.0445 119.5689 65.7541 31.1959 178.1376 572 T 4.0169 8.0776 108.0381 63.7540 68.6530 175.5265 573 S 4.7395 7.5476 114.9245 57.3874 63.6470 173.0736 574 T 4.8541 7.3677 112.1310 60.3336 71.5727 172.9566 575 D 4.8629 8.3534 117.4433 53.1526 40.1576 175.8975 576 V 4.0307 7.6816 112.2224 61.5816 32.7637 176.3071 577 T 4.3776 8.1461 111.5100 63.3714 69.9979 173.7973 578 E 5.1657 7.5499 118.2703 55.4410 32.2799 173.9369 579 Y 5.0075 9.2539 118.4068 55.4299 42.3798 173.1185 580 P 4.1774 0.0000 0.0000 62.3928 32.9974 174.5491 581 L 5.0282 8.8395 126.5966 53.8582 43.9428 175.5607 582 V 4.8211 8.5650 119.2050 59.3388 33.6218 176.1943 583 E 4.0884 9.1048 125.2337 59.2169 30.4029 177.0464 584 S 4.9313 7.7216 111.2545 57.0147 65.8957 174.9443 585 T 3.9488 8.5104 118.8050 66.7901 68.4640 175.9966 586 E 4.0814 8.1993 121.3693 59.0228 29.9281 177.7815 587 S 4.2225 8.1070 112.2475 59.1419 63.7648 174.6162 588 Q 3.4730 8.3852 117.7113 56.4253 26.8335 172.8242 589 I 4.3356 7.3405 120.2274 60.5341 37.3365 175.5099 590 L 4.3763 8.4104 128.7013 55.4259 42.1601 176.8912 591 V 4.3662 8.7103 117.6097 60.1111 33.9830 175.4296 592 G 3.9713 6.9548 106.2110 45.7298 0.0000 171.3024 593 I 5.0994 7.8147 118.6322 59.5447 41.7477 174.9036 594 V 4.7011 8.7933 125.5889 61.1627 34.6651 174.4594 595 Q 4.7157 8.6642 126.2281 55.3793 29.9163 176.6838 596 R 4.0917 9.1718 124.1102 59.8855 30.1349 178.7980 597 A 4.0169 8.0727 119.7762 55.4566 18.4071 179.5084 598 Q 4.0116 8.0664 115.9972 58.8698 28.8185 178.6507 599 L 3.9966 8.0490 120.2276 57.6717 41.6127 179.6080 600 V 3.5627 8.0289 118.3495 66.0394 31.2565 177.7471 601 Q 3.9271 7.8404 117.6612 59.2739 29.0671 177.8969 602 A 4.1375 8.0916 121.6680 55.2127 18.1816 179.6628 603 L 3.9762 7.9614 116.7371 57.8445 41.8034 179.2357 604 Q 4.2143 8.3021 116.1604 57.2263 28.7273 177.1160 605 A 4.6346 7.2502 121.0242 52.2233 19.8072 176.1332 *613 G 3.7251 7.8678 108.4741 46.2430 0.0000 172.6272 614 H 4.3849 8.5329 114.0562 54.9609 29.1075 174.6677 615 Q 4.0732 8.3920 122.2289 56.1630 29.5267 175.6780 616 Q 4.3355 8.7005 125.9485 56.3354 30.2742 175.0113 617 C 5.4116 9.6556 120.6542 57.1248 32.6967 174.7413 618 L 3.8957 8.7803 120.9946 58.8076 41.4299 178.8535 619 Q 4.0206 8.2608 117.3069 59.5828 28.3128 178.7316 620 D 4.3723 8.1203 120.7444 57.3461 40.8626 178.7326 621 I 3.8258 7.6730 119.8532 64.0805 37.2461 178.3354 622 L 4.1140 8.1134 119.9193 57.7688 41.2363 179.3778 623 A 4.0667 7.9409 119.6790 54.8961 18.4036 179.0987 624 R 4.2102 7.5723 113.8702 56.7014 30.4561 176.0807 625 G 3.4182 7.4567 108.3062 45.0831 0.0000 173.9279 626 C 4.1629 7.8325 122.3974 58.5617 31.7203 171.6230 627 P 4.4445 0.0000 0.0000 62.9834 31.6391 175.4462 628 T 4.7647 8.1482 114.8058 60.4345 70.7074 172.5799 629 E 4.9136 9.4240 126.6992 53.9601 32.3676 173.8428 630 P 4.8201 0.0000 0.0000 62.3703 32.9585 175.6235 631 V 4.0891 8.2600 121.4254 62.2704 32.0882 175.7206 632 T 4.5648 8.2158 115.6275 61.3446 70.4623 173.5999 633 L 4.4545 7.5732 121.4095 54.5188 44.7260 173.1123 634 T 4.6374 8.1352 113.6229 60.8789 72.1563 172.2978 635 L 4.7535 8.5316 122.2618 53.4450 44.7366 175.5165 636 F 5.1314 8.7581 117.4991 55.6388 42.8557 176.8477 637 S 4.0437 8.8274 117.2810 61.8321 62.7519 176.4432 638 E 4.3632 8.0739 116.3398 56.8388 30.0914 176.7832 639 T 4.1004 7.7726 117.6629 64.0314 69.2182 174.0772 640 T 4.7432 9.1211 116.7732 60.8674 71.4171 175.8934 641 L 4.1072 8.9125 123.8390 58.5246 42.0454 178.6103 642 H 4.0218 8.3326 118.1783 59.4786 29.7382 177.2982 643 Q 4.0322 8.3510 119.4853 58.8647 28.5111 178.5263 644 A 4.0341 8.4782 122.2202 55.2195 18.3434 179.6326 645 Q 3.7632 8.3886 116.8459 59.2549 28.7566 178.8466 646 N 4.3445 8.0580 117.3521 56.1892 38.5825 177.1658 647 L 4.0107 8.2042 121.6771 58.3673 42.1972 179.0986 648 F 4.0413 8.6589 117.7677 60.4007 38.6269 177.9460 649 K 4.2394 8.6754 118.3066 59.8032 31.7932 179.6413 650 L 4.0342 8.2168 117.8524 57.1586 41.6609 178.0642 651 L 4.3746 7.9281 115.8668 53.5177 42.4115 175.6844 652 N 4.2143 7.4728 116.6412 54.5186 37.5182 173.3407 653 L 4.4811 7.9919 117.3193 53.8270 43.8760 177.1694 654 Q 4.7983 7.8914 118.3839 57.1638 30.9040 175.6725 655 S 5.0106 7.2216 108.3356 57.9388 65.3672 174.9635 656 L 4.5147 8.3991 119.6201 53.4235 46.4547 175.6404 657 F 4.8413 8.5490 120.0690 57.2458 40.9714 174.3849 658 V 4.8010 8.9404 120.9558 61.3387 34.1450 174.5660 659 T 5.1380 8.2501 116.8635 60.0191 72.5677 173.0129 660 S 4.5910 8.6258 116.9595 57.1858 65.7385 174.1199 661 R 3.9376 9.9442 127.0895 57.3354 27.6888 177.6682 662 G 4.0231 8.4160 105.7841 45.5233 0.0000 174.2208 663 R 4.7058 7.7681 119.3650 54.8560 31.1510 175.6645 664 A 4.4812 8.3780 125.6732 52.3139 18.4241 177.8340 665 V 4.3272 8.4974 115.5153 60.4017 33.9023 175.6334 666 G 4.1214 7.3047 104.9698 46.8424 0.0000 171.4499 667 C 5.2736 8.0907 113.0134 56.9169 33.6921 173.2760 668 V 4.7934 8.8484 119.9926 61.2990 34.7644 174.7304 669 S 5.3643 8.9710 120.3036 54.3590 66.2837 174.6974 670 W 4.1196 8.7194 118.7401 59.2361 28.3571 178.8621 671 V 3.6565 7.7591 118.4338 66.2212 31.0512 177.9233 672 E 4.0498 8.1332 117.8231 59.3834 29.4286 178.7884 673 M 3.5241 7.9977 118.2853 58.5237 32.2127 178.4765 674 K 4.0554 8.5135 118.9882 59.3974 32.1105 179.5540 675 K 3.9494 7.9089 118.7679 59.2755 31.7322 179.2799 676 A 3.8275 7.5715 120.0754 55.1478 18.3456 179.4468 677 I 3.6933 7.6348 118.3333 64.4287 37.1570 178.6275 678 S 4.0681 8.2137 114.1002 61.5054 62.0598 175.9758 679 N 4.5867 8.1814 117.7740 55.6780 38.2162 177.0128 680 L 4.1216 7.3911 120.5297 57.5620 41.8363 178.1144 681 T 4.3635 7.7787 105.9669 62.1147 70.4219 174.2571 682 N 4.9599 7.9633 119.7762 50.7178 38.7150 171.5358 683 P 4.3803 0.0000 0.0000 61.6890 32.5339 175.7636 684 P 4.3815 0.0000 0.0000 62.2335 31.9991 176.1019 685 A 4.2773 8.2224 123.6133 50.7975 19.1706 175.9876 686 P 4.3814 0.0000 0.0000 62.8067 31.8420 176.6891 687 K 4.1384 8.5074 121.0618 56.0905 32.8987 176.0891 688 E 4.5400 8.0533 120.7970 55.1218 30.9082 175.8600 689 F 4.9185 8.4452 120.0600 55.7007 42.9742 174.1650 690 L 4.7971 8.4493 122.2973 53.0112 43.9685 175.8010 691 E 4.3323 8.4238 121.7585 55.0508 30.7321 176.6242 692 V 3.9494 8.1148 125.1092 61.9414 30.6500 175.8797 693 L 4.2596 8.2449 125.7564 54.7457 41.6489 177.0616 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 542 S 8.19 4.44 0.00 4.05 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 543 H 8.07 4.32 0.00 3.08 3.25 0.00 5.68 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 544 H 8.20 4.78 0.00 3.18 3.35 0.00 5.69 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 545 V 7.67 4.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.95 0.00 0.00 546 R 8.65 5.15 0.00 1.78 1.91 0.00 3.29 0.00 0.00 3.30 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 547 V 8.67 2.33 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.86 0.00 0.00 548 E 7.77 3.87 0.00 2.05 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.06 0.00 549 H 8.09 4.52 0.00 3.51 3.48 0.00 5.59 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 550 F 7.41 4.96 0.00 3.04 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 551 M 7.46 4.00 0.00 1.90 1.91 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.21 0.00 552 N 8.92 4.63 0.00 2.87 2.82 0.00 0.00 7.50 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 553 H 8.79 4.51 0.00 3.18 3.34 0.00 5.75 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 554 S 8.60 4.56 0.00 4.01 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 555 I 7.27 4.57 1.99 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.68 1.00 0.00 0.00 556 T 8.37 4.53 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 557 T 8.36 4.54 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 558 L 8.60 4.79 0.00 1.52 1.47 0.42 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 559 A 8.68 5.48 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 560 K 8.19 3.90 0.00 2.10 2.00 0.00 1.83 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.52 7.81 561 D 7.85 4.95 0.00 2.76 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 562 T 7.77 4.09 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 563 P 0.00 4.67 0.00 2.24 2.34 0.00 3.68 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.05 0.00 564 L 8.67 3.99 0.00 1.68 1.74 0.90 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 565 E 8.14 3.92 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 566 E 8.06 3.95 0.00 2.05 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 567 V 7.73 3.44 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.90 0.00 0.00 568 V 7.95 3.53 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.93 0.00 0.00 569 K 7.86 3.91 0.00 2.22 1.84 0.00 1.58 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.49 7.81 570 V 7.67 3.53 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.95 0.00 0.00 571 V 8.04 3.92 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.85 0.00 0.00 572 T 8.08 4.02 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 573 S 7.55 4.74 0.00 4.05 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 574 T 7.37 4.85 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 575 D 8.35 4.86 0.00 2.75 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 576 V 7.68 4.03 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.34 0.00 0.00 577 T 8.15 4.38 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 578 E 7.55 5.17 0.00 2.12 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.49 0.00 579 Y 9.25 5.01 0.00 2.89 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 580 P 0.00 4.18 0.00 1.61 0.55 0.00 3.89 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.61 0.00 581 L 8.84 5.03 0.00 1.71 1.57 0.98 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 582 V 8.57 4.82 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 1.00 0.00 0.00 583 E 9.10 4.09 0.00 2.05 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 584 S 7.72 4.93 0.00 3.97 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 585 T 8.51 3.95 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 586 E 8.20 4.08 0.00 1.90 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 587 S 8.11 4.22 0.00 4.02 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 588 Q 8.39 3.47 0.00 2.24 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 7.04 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 589 I 7.34 4.34 1.85 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.95 0.95 0.00 0.00 590 L 8.41 4.38 0.00 1.50 1.52 0.77 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 591 V 8.71 4.37 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.91 0.00 0.00 592 G 6.95 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 593 I 7.81 5.10 1.93 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.95 1.04 0.00 0.00 594 V 8.79 4.70 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.94 0.00 0.00 595 Q 8.66 4.72 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.63 0.00 0.00 0.00 0.00 0.00 2.47 2.39 0.00 596 R 9.17 4.09 0.00 2.08 2.01 0.00 3.43 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.89 0.00 597 A 8.07 4.02 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 598 Q 8.07 4.01 0.00 2.22 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.86 0.00 0.00 0.00 0.00 0.00 2.48 2.41 0.00 599 L 8.05 4.00 0.00 1.93 1.69 0.78 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 600 V 8.03 3.56 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 1.04 0.00 0.00 601 Q 7.84 3.93 0.00 2.21 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.74 0.00 0.00 0.00 0.00 0.00 2.38 2.54 0.00 602 A 8.09 4.14 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 603 L 7.96 3.98 0.00 1.76 1.73 0.89 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 604 Q 8.30 4.21 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.18 0.00 0.00 0.00 0.00 0.00 2.40 2.61 0.00 605 A 7.25 4.63 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *613 G 7.87 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 614 H 8.53 4.38 0.00 3.28 3.31 0.00 5.54 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 615 Q 8.39 4.07 0.00 2.08 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.96 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 616 Q 8.70 4.34 0.00 1.98 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.43 0.00 0.00 0.00 0.00 0.00 2.35 2.28 0.00 617 C 9.66 5.41 0.00 2.78 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 618 L 8.78 3.90 0.00 1.70 1.91 0.88 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 619 Q 8.26 4.02 0.00 2.31 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.59 0.00 0.00 0.00 0.00 0.00 2.51 2.42 0.00 620 D 8.12 4.37 0.00 2.91 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 621 I 7.67 3.83 1.98 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.53 0.90 0.00 0.00 622 L 8.11 4.11 0.00 1.84 1.71 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 623 A 7.94 4.07 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 624 R 7.57 4.21 0.00 1.97 1.98 0.00 3.15 0.00 0.00 3.23 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 625 G 7.46 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 626 C 7.83 4.16 0.00 3.02 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 627 P 0.00 4.44 0.00 2.09 1.98 0.00 3.68 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 628 T 8.15 4.76 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 629 E 9.42 4.91 0.00 1.90 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.39 0.00 630 P 0.00 4.82 0.00 2.08 2.05 0.00 3.77 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 631 V 8.26 4.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.93 0.00 0.00 632 T 8.22 4.56 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 633 L 7.57 4.45 0.00 1.56 1.49 0.97 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 634 T 8.14 4.64 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 635 L 8.53 4.75 0.00 1.54 1.60 0.94 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 636 F 8.76 5.13 0.00 3.01 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 637 S 8.83 4.04 0.00 3.92 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 638 E 8.07 4.36 0.00 1.97 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 639 T 7.77 4.10 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 640 T 9.12 4.74 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 641 L 8.91 4.11 0.00 1.83 1.91 0.40 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 642 H 8.33 4.02 0.00 3.20 3.24 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 643 Q 8.35 4.03 0.00 2.38 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.46 2.47 0.00 644 A 8.48 4.03 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 645 Q 8.39 3.76 0.00 2.22 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.74 0.00 0.00 0.00 0.00 0.00 2.28 2.43 0.00 646 N 8.06 4.34 0.00 2.90 2.90 0.00 0.00 6.73 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 647 L 8.20 4.01 0.00 2.01 2.05 0.98 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 648 F 8.66 4.04 0.00 3.00 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 649 K 8.68 4.24 0.00 1.94 1.98 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.11 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.78 2.06 7.81 650 L 8.22 4.03 0.00 1.75 1.77 0.96 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 651 L 7.93 4.37 0.00 1.73 1.66 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 652 N 7.47 4.21 0.00 2.78 2.82 0.00 0.00 7.06 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 653 L 7.99 4.48 0.00 0.60 0.87 0.52 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 654 Q 7.89 4.80 0.00 2.04 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.29 0.00 655 S 7.22 5.01 0.00 3.76 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 656 L 8.40 4.51 0.00 1.64 1.49 0.90 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 657 F 8.55 4.84 0.00 3.04 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 658 V 8.94 4.80 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.82 0.00 0.00 659 T 8.25 5.14 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 660 S 8.63 4.59 0.00 3.87 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 661 R 9.94 3.94 0.00 1.99 2.00 0.00 3.31 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 662 G 8.42 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 663 R 7.77 4.71 0.00 2.00 1.83 0.00 3.12 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.72 0.00 664 A 8.38 4.48 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 665 V 8.50 4.33 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.94 0.00 0.00 666 G 7.30 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 667 C 8.09 5.27 0.00 2.85 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 668 V 8.85 4.79 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.74 0.00 0.00 669 S 8.97 5.36 0.00 4.15 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 670 W 8.72 4.12 0.00 3.50 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 671 V 7.76 3.66 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 1.00 0.00 0.00 672 E 8.13 4.05 0.00 2.18 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.49 0.00 673 M 8.00 3.52 0.00 1.84 1.47 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 1.84 0.00 674 K 8.51 4.06 0.00 1.94 1.89 0.00 1.80 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.59 1.96 7.81 675 K 7.91 3.95 0.00 1.90 1.86 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.72 7.81 676 A 7.57 3.83 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 677 I 7.63 3.69 1.97 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.37 0.89 0.00 0.00 678 S 8.21 4.07 0.00 3.93 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 679 N 8.18 4.59 0.00 2.85 2.86 0.00 0.00 7.11 8.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 680 L 7.39 4.12 0.00 1.67 1.72 0.88 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 681 T 7.78 4.36 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 682 N 7.96 4.96 0.00 2.65 2.70 0.00 0.00 7.20 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 683 P 0.00 4.38 0.00 2.22 2.14 0.00 3.82 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 684 P 0.00 4.38 0.00 2.08 2.03 0.00 3.69 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 685 A 8.22 4.28 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 686 P 0.00 4.38 0.00 2.23 2.11 0.00 3.77 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 687 K 8.51 4.14 0.00 1.73 1.27 0.00 1.83 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.48 7.81 688 E 8.05 4.54 0.00 1.81 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.25 0.00 689 F 8.45 4.92 0.00 2.96 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 690 L 8.45 4.80 0.00 1.66 1.60 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 691 E 8.42 4.33 0.00 1.94 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 692 V 8.11 3.95 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.95 0.00 0.00 693 L 8.24 4.26 0.00 1.68 1.56 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.